Chemical ID: 4445614

CCOc1cc(ccc1OCC(=O)OCC)C=C2C(=NN(C2=O)c3ccc(cc3)C(=O)O)C
Chemical ID:
4445614
Name [?]:
4-[4-[[3-ethoxy-4-(ethoxycarbonylmethoxy)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid
SMILES [?]:
CCOc1cc(ccc1OCC(=O)OCC)C=C2C(=NN(C2=O)c3ccc(cc3)C(=O)O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H24N2O7
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:10.1839
Area:711.532
Solvation:-7.60437
Coulombic:-76.6884
Bond Count [?]
All:35
Single:24
Double:11
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:452.457
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:3.49
LogP (Chemaxon):3.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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